Sugi Predict

Sugi Predict / Compounds / SCHEMBL2443441

SCHEMBL2443441

SCHEMBL2443441

ON=Cc1cccc(Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ GAA P10253 1/20 0.40
▸ PPP1R15A O75807 1/20 0.40
▸ MELK Q14680 1/20 0.40
▸ PPP1R15B Q5SWA1 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5803252 1.00 HPGD (0.45) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL2443434 1.00 HPGD (0.45) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL18508494 0.82 L3MBTL1 (0.37) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL18502957 0.82 L3MBTL1 (0.37) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL1614520 0.80 PPP1R15A (0.36) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL2161103 0.79 L3MBTL1 (0.59) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL2161977 0.79 ALDH1A1 (0.47) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL534016 0.79 L3MBTL1 (0.59) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL32680261 0.79 L3MBTL1 (0.59) HPGDALDH1A1L3MBTL1LMNAHTT
SCHEMBL534017 0.79 L3MBTL1 (0.59) HPGDALDH1A1L3MBTL1LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867660-A Tetrahydroisoquinoline amide compound and its medicinal usage containing quaternary ammonium ion 四川科伦博泰生物医药股份有限公司 2019-06-11 — — CN disclosed
CN-106336383-B A kind of trinitrogenazole alcohol analog derivative and its preparation method and application 中国人民解放军第二军医大学 2019-05-14 — — CN disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 — — US disclosed
EP-2978751-B1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-05 — — EP disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 — — US disclosed
CN-107847494-A Amino benzisoxazole compounds as the nicotinic acetylcholine receptors alpha7s of α 7 阿考温特科学股份有限公司 2018-03-27 — — CN disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
CN-107540659-A Tetrahydroisoquinolicompounds compounds, its preparation method, medical composition and its use 四川科伦博泰生物医药股份有限公司 2018-01-05 — — CN disclosed
CN-105228996-B Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors 百时美施贵宝公司 2017-11-28 — — CN disclosed
US-9738655-B2 Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 — — US disclosed
EP-2739628-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-06-11 — — EP disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 — — EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 — — EP disclosed
WO-2013022818-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 — — WO disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 — — EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 — — EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 — — EP disclosed
CN-101316852-A Inhibitors of serine proteases VERTEX PHARMA (US) 2008-12-03 — — CN disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HPGD 2470/4885ALDH1A1 4457/4885L3MBTL1 4817/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 HPGD 2055/4885ALDH1A1 4479/4885L3MBTL1 4792/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HPGD 2470/4885ALDH1A1 4457/4885L3MBTL1 4817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.